CID 68738428

[3-(5-bromopyridin-3-yl)phenyl]methanol

Structural Information

Molecular Formula

C₁₂H₁₀BrNO

SMILES

C1=CC(=CC(=C1)C2=CC(=CN=C2)Br)CO

InChI

InChI=1S/C12H10BrNO/c13-12-5-11(6-14-7-12)10-3-1-2-9(4-10)8-15/h1-7,15H,8H2

InChIKey

USQIWDREAPHQNK-UHFFFAOYSA-N

Compound name

[3-(5-bromopyridin-3-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 262.99457 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.00185	148.7
[M+Na]+	285.98379	160.3
[M-H]-	261.98729	155.6
[M+NH4]+	281.02839	167.2
[M+K]+	301.95773	148.2
[M+H-H2O]+	245.99183	147.9
[M+HCOO]-	307.99277	168.8
[M+CH3COO]-	322.00842	163.1
[M+Na-2H]-	283.96924	156.9
[M]+	262.99402	166.7
[M]-	262.99512	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe